2-[(4-methoxyphenyl)carbamothioylsulfanyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)carbamothioylsulfanyl]-5-nitro-benzoic acid Openeye Name: 2-[(4-methoxyphenyl)carbamothioylsulfanyl]-5-nitro-benzoic acid CAS Name: 2-[[(4-methoxyanilino)-sulfanylidenemethyl]thio]-5-nitrobenzoic acid IUPAC Name: 2-[(4-methoxyphenyl)carbamothioylsulfanyl]-5-nitrobenzoic acid Traditional Name: 2-[(4-methoxyphenyl)thiocarbamoylthio]-5-nitro-benzoic acid Formula: C15H12N2O5S2 MolecularWeight: 364.39618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N2O5S2/c1-22-11-5-2-9(3-6-11)16-15(23)24-13-7-4-10(17(20)21)8-12(13)14(18)19/h2-8H,1H3,(H,16,23)(H,18,19)